Kahn, I.; Lomaka, A.; Karelson, M. Topological Fingerprints as an Aid in Finding Structural Patterns for LRRK2 Inhibition. Mol. Inf. 2014, 33, 269-275.

Compound

	ID:	CHEMBL1983630
	Name:	5-phenyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C13H10N2O/c16-12-7-10-6-11(8-14-13(10)15-12)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15,16)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.7	experimental value
5.514754	pls: PLS model of diverse drug-like compounds (Training set)
5.257109	bmlr: MLR model of diverse drug-like compounds (Training set)